methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate

C10H12N2O3 — CID 136658234

IUPACmethyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate
SMILESCC=c1c(=C(C)C(=O)OC)nc[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-4-7-8(6(2)10(14)15-3)11-5-12-9(7)13/h4-5H,1-3H3,(H,11,12,13)
InChIKeyFXWJMEJTZIUPIK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-1.09
Rot. Bonds1

About methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate

methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate (PubChem CID 136658234) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate
PubChem CID136658234
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Namemethyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate
SMILESCC=c1c(=C(C)C(=O)OC)nc[nH]c1=O
InChIInChI=1S/C10H12N2O3/c1-4-7-8(6(2)10(14)15-3)11-5-12-9(7)13/h4-5H,1-3H3,(H,11,12,13)
InChIKeyFXWJMEJTZIUPIK-UHFFFAOYSA-N
XLogP-1.09
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enoate
CID 169479438
ethyl 3-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]prop-2-enoate
CID 169480814
methyl (E,5E)-2-methylidene-4-nitroso-5-(6-oxo-1,4-dihydropyrimidin-5-ylidene)pent-3-enoate
CID 117646577
2-(5-methyl-6-oxo-1H-pyrimidin-4-yl)prop-2-enamide
CID 137095276
4,5-bis[(Z)-prop-1-enyl]-1H-pyrimidin-6-one;methyl acetate
CID 144368856
(4E)-4-[(Z)-2,3-dimethoxybut-2-enylidene]-5-methylidene-1H-pyrimidin-6-one
CID 163773112
methyl (E)-2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)but-2-enoate
CID 136020293
(2E)-3-(6-Methyl-4-oxo-1,4-dihydropyrimidin-5-yl)prop-2-enoic acid
CID 136797922
methyl 4-ethyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 137204360
Methyl 4-oxo-3,5-dihydrocyclopenta[d]pyrimidine-7-carboxylate
CID 157618176
methyl 3-(6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478646
methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enoate
CID 169478762

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate?
The IUPAC name of methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate (CID 136658234) is methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate.
What is the SMILES notation for methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate?
The canonical SMILES for methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate is CC=c1c(=C(C)C(=O)OC)nc[nH]c1=O.
What is the InChIKey of methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate?
The InChIKey is FXWJMEJTZIUPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-4-7-8(6(2)10(14)15-3)11-5-12-9(7)13/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate?
methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate has a molecular weight of 208.22 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-ethylidene-6-oxo-1H-pyrimidin-4-ylidene)propanoate is sourced from PubChem (CID 136658234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).